UCSF

ZINC34775145

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 0.85 -12.23 2 4 0 61 207.229 1
Hi High (pH 8-9.5) 1.29 1.61 -57.34 1 4 -1 64 206.221 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )